BDBM50450013 CHEMBL3955935

SMILES: [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1

InChI Key: InChIKey=SZJCSSKMAZDKFQ-UHFFFAOYSA-N

Data: 12 IC50

Find this compound or compounds like it in BindingDB or PDB:

Substructure Similarity at least:  must be >=0.5 Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 12 hits for monomerid = 50450013   

Target/Host (Institution)	Ligand	Target/Host Links	Ligand Links	Trg + Lig Links	Ki nM	ΔG° kcal/mole	IC50 nM	Kd nM	EC50/IC50 nM	koff s-1	kon M-1s-1	pH	Temp °C
60 kDa heat shock protein, mitochondrial (Homo sapiens)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	5.10E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human N-terminal octa-His-tagged HSP60 expressed in Escherichia coli Rosetta(DE3) pLysS/human HSP10 expressed in Escherichia coli Roset...				J Med Chem 61: 7345-7357 (2018) Article DOI: 10.1021/acs.jmedchem.8b00989 BindingDB Entry DOI: 10.7270/Q270840G
					More data for this Ligand-Target Pair
Thiosulfate sulfurtransferase (Homo sapiens)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>1.00E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of refolded rhodanese (unknown origin) preincubated with Escherichia coli GroEL/GroES for 60 mins by measuring MDH enzyme activity using s...				J Med Chem 61: 7345-7357 (2018) Article DOI: 10.1021/acs.jmedchem.8b00989 BindingDB Entry DOI: 10.7270/Q270840G
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.40E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coliDH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed a...				J Med Chem 61: 7345-7357 (2018) Article DOI: 10.1021/acs.jmedchem.8b00989 BindingDB Entry DOI: 10.7270/Q270840G
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.20E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL expressed in Escherichia coli DH5alpha/Escherichia coli GroES expressed in Escherichia coli BL21 (DE3) assessed ...				J Med Chem 61: 7345-7357 (2018) Article DOI: 10.1021/acs.jmedchem.8b00989 BindingDB Entry DOI: 10.7270/Q270840G
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.60E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding preinc...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Protein-tyrosine phosphatase 1B (Homo sapiens (Human))	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB MMDB NCI pathway Reactome pathway KEGG B.MOAD DrugBank GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.70E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human PTPN1 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair
10 kDa chaperonin (Escherichia coli)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of Escherichia coli GroEL/GroES-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH ...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
HSP60/HSP10 (Homo sapiens)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	>2.50E+5	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of human mitochondrial HSP60/HSP10-ATPase activity expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured M...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair
Tyrosine-protein phosphatase non-receptor type 5 (Homo sapiens (Human))	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	1.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human PTPN5 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair
T-cell protein-tyrosine phosphatase (Homo sapiens (Human))	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	2.80E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of human PTPN2 expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 45 mins by spectrophotometric method				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair
Phosphotyrosine protein phosphatase (Mycobacterium tuberculosis)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB MMDB KEGG B.MOAD GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.20E+3	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University School of Medicine Curated by ChEMBL					Assay Description Inhibition of Mycobacterium tuberculosis His-tagged PtpB expressed in Escherichia coli Rosetta 2 (DE3) using pNPP as substrate after 30 mins by spect...				Bioorg Med Chem Lett 29: 1665-1672 (2019) Article DOI: 10.1016/j.bmcl.2019.04.034
					More data for this Ligand-Target Pair
HSP60/HSP10 (Homo sapiens)	BDBM50450013 (CHEMBL3955935) Show SMILES [O-][N+](=O)c1ccc(cc1)S(=O)(=O)Nc1ccc(cc1)-c1nc2cc(NS(=O)(=O)c3ccc(cc3)[N+]([O-])=O)ccc2o1 Show InChI InChI=1S/C25H17N5O9S2/c31-29(32)19-6-10-21(11-7-19)40(35,36)27-17-3-1-16(2-4-17)25-26-23-15-18(5-14-24(23)39-25)28-41(37,38)22-12-8-20(9-13-22)30(33)34/h1-15,27-28H	PDB GoogleScholar AffyNet	PC cid PC sid UniChem	Article PubMed	n/a	n/a	6.50E+4	n/a	n/a	n/a	n/a	n/a	n/a
Indiana University Curated by ChEMBL					Assay Description Inhibition of human mitochondrial HSP60/HSP10 expressed in Escherichia coli DH5alpha/BL21 (DE3) assessed as inhibition of denatured MDH refolding pre...				Bioorg Med Chem Lett 26: 5247-5253 (2016) Article DOI: 10.1016/j.bmcl.2016.09.051 BindingDB Entry DOI: 10.7270/Q2WW7MRM
					More data for this Ligand-Target Pair